1-[(1-oxidanyl-1-oxidanylidene-2-phenyl-butan-2-yl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]piperazine-2-carboxylic acid

Systemtic Name: 1-[(1-oxidanyl-1-oxidanylidene-2-phenyl-butan-2-yl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]piperazine-2-carboxylic acid Openeye Name: 1-[(1-carboxy-1-phenyl-propyl)-(2-hydroxy-1-methyl-2-oxo-ethyl)amino]piperazine-2-carboxylic acid CAS Name: 1-[(1-hydroxy-1-oxo-2-phenylbutan-2-yl)-(1-hydroxy-1-oxopropan-2-yl)amino]-2-piperazinecarboxylic acid IUPAC Name: 1-[(1-hydroxy-1-oxo-2-phenylbutan-2-yl)-(1-hydroxy-1-oxopropan-2-yl)amino]piperazine-2-carboxylic acid Traditional Name: 1-[(1-carboxy-1-phenyl-propyl)-(2-hydroxy-2-keto-1-methyl-ethyl)amino]piperazine-2-carboxylic acid Formula: C18H25N3O6 MolecularWeight: 379.4076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)O)N(C(C)C(=O)O)N2CCNCC2C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)O)N(C(C)C(=O)O)N2CCNCC2C(=O)O

InChI

InChI=1S/C18H25N3O6/c1-3-18(17(26)27,13-7-5-4-6-8-13)21(12(2)15(22)23)20-10-9-19-11-14(20)16(24)25/h4-8,12,14,19H,3,9-11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)